1-ethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole

Systemtic Name: 1-ethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole Openeye Name: 1-ethyl-2-[(E)-2-(4-nitrophenyl)vinyl]-5-(trifluoromethylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-5-(trifluoromethylsulfonyl)benzimidazole Traditional Name: 1-ethyl-2-[(E)-2-(4-nitrophenyl)vinyl]-5-triflyl-benzimidazole Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N3O4S/c1-2-23-16-9-8-14(29(27,28)18(19,20)21)11-15(16)22-17(23)10-5-12-3-6-13(7-4-12)24(25)26/h3-11H,2H2,1H3/b10-5+